N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide

C19H33N5O2 — CID 136520307

IUPACN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CCN(C3CCOCC3)CC2)c(C)n1
InChIInChI=1S/C19H33N5O2/c1-3-4-7-24-15-17(16(2)21-24)14-20-19(25)23-10-8-22(9-11-23)18-5-12-26-13-6-18/h15,18H,3-14H2,1-2H3,(H,20,25)
InChIKeyUPYVGIVDPSFRND-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.00
Rot. Bonds6

About N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide

N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 136520307) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID136520307
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCCCn1cc(CNC(=O)N2CCN(C3CCOCC3)CC2)c(C)n1
InChIInChI=1S/C19H33N5O2/c1-3-4-7-24-15-17(16(2)21-24)14-20-19(25)23-10-8-22(9-11-23)18-5-12-26-13-6-18/h15,18H,3-14H2,1-2H3,(H,20,25)
InChIKeyUPYVGIVDPSFRND-UHFFFAOYSA-N
XLogP2.00
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 136520308
N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122159301
4-benzyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 122559335
4-morpholin-4-yl-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122560980
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
(4aR,6S,8aS)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-morpholin-4-yl-2-propanoyl-1,3,4,4a,5,6,7,8-octahydroisoquinoline-8a-carboxamide
CID 154569945
(3S)-1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 103955881
N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
CID 75473864
N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126795862
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-N'-[(3-methyl-1-pentylpyrazol-4-yl)methyl]oxamide
CID 146096027
2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 71852925
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide (CID 136520307) is N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide is CCCCn1cc(CNC(=O)N2CCN(C3CCOCC3)CC2)c(C)n1.
What is the InChIKey of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is UPYVGIVDPSFRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-4-7-24-15-17(16(2)21-24)14-20-19(25)23-10-8-22(9-11-23)18-5-12-26-13-6-18/h15,18H,3-14H2,1-2H3,(H,20,25).
What are the key properties of N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136520307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).